Geometry & MOs

Info

ID:	37888
PubChem CID:	8025337
Reduced:	ClFNOC15H17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	406.15941
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	4.08
IP(EA), eV:	-9.18(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-[(2R)-2-methylhexyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1C[C@@H]2CC(=O)NC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations